Header list of 1na2.pdb file
Complete list - b 23 2 Bytes
HEADER RNA 26-NOV-02 1NA2
TITLE SOLUTION STRUCTURE OF THE P2B HAIRPIN FROM HUMAN TELOMERASE RNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: TELOMERASE RNA P2B HAIRPIN;
COMPND 3 CHAIN: A;
COMPND 4 ENGINEERED: YES
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES;
SOURCE 3 OTHER_DETAILS: THIS SEQUENCE OCCURS NATURALLY IN HOMO SAPIENS
SOURCE 4 (HUMAN).
KEYWDS U-U BASE PAIR, U-C BASE PAIR, PENTALOOP, HAIRPIN, RNA, TELOMERASE,
KEYWDS 2 NARROW MINOR GROOVE, U TRACTS
EXPDTA SOLUTION NMR
NUMMDL 18
AUTHOR C.A.THEIMER,L.D.FINGER,L.TRANTIREK,J.FEIGON
REVDAT 4 23-FEB-22 1NA2 1 REMARK
REVDAT 3 24-FEB-09 1NA2 1 VERSN
REVDAT 2 04-FEB-03 1NA2 1 JRNL
REVDAT 1 21-JAN-03 1NA2 0
JRNL AUTH C.A.THEIMER,L.D.FINGER,L.TRANTIREK,J.FEIGON
JRNL TITL MUTATIONS LINKED TO DYSKERATOSIS CONGENITA CAUSE CHANGES IN
JRNL TITL 2 THE STRUCTURAL EQUILIBRIUM IN TELOMERASE RNA
JRNL REF PROC.NATL.ACAD.SCI.USA V. 100 449 2003
JRNL REFN ISSN 0027-8424
JRNL PMID 12525685
JRNL DOI 10.1073/PNAS.242720799
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : XWINNMR 2.6, X-PLOR 3.851
REMARK 3 AUTHORS : BRUKER (XWINNMR), BRUNGER (X-PLOR)
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: 266 INTRANUCLEOTIDE NOES, 318
REMARK 3 INTERNUCLEOTIDE NOES, 117 DIHEDRAL ANGLES, 29 HYDROGEN BONDS, 24
REMARK 3 RDCS
REMARK 4
REMARK 4 1NA2 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-NOV-02.
REMARK 100 THE DEPOSITION ID IS D_1000017706.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : 278; 293
REMARK 210 PH : 6.3; 6.3
REMARK 210 IONIC STRENGTH : 200 MM KCL; 200 MM KCL
REMARK 210 PRESSURE : 1 ATM; 1 ATM
REMARK 210 SAMPLE CONTENTS : 1MM HUMAN TELOMERASE RNA P2B
REMARK 210 HAIRPIN U-15N,13C LABELED,
REMARK 210 UNLABELED.; 1MM HUMAN TELOMERASE
REMARK 210 RNA P2B HAIRPIN U-15N,13C
REMARK 210 LABELED, UNLABELED.
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY; DQF-COSY; 3D_13C
REMARK 210 -SEPARATED_NOESY; 3D 13C NOESY-
REMARK 210 HMQC
REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ; 500 MHZ
REMARK 210 SPECTROMETER MODEL : DRX
REMARK 210 SPECTROMETER MANUFACTURER : BRUKER
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : AURELIA 3.108, X-PLOR 3.851
REMARK 210 METHOD USED : SIMULATED ANNEALING
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : 200
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 18
REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE
REMARK 210 COVALENT GEOMETRY,STRUCTURES
REMARK 210 WITH THE LEAST RESTRAINT
REMARK 210 VIOLATIONS,STRUCTURES WITH THE
REMARK 210 LOWEST ENERGY
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1
REMARK 210
REMARK 210 REMARK: NULL
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 H2' A A 19 O4' C A 20 1.60
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 1 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 1 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 1 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 1 G A 6 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 1 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 U A 13 O4' - C1' - N1 ANGL. DEV. = 4.3 DEGREES
REMARK 500 1 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.8 DEGREES
REMARK 500 1 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 1 G A 18 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 1 G A 18 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 1 A A 19 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 1 A A 25 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 1 G A 26 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 1 G A 26 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 2 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 2 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 2 G A 6 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 2 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 2 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 2 G A 18 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 2 G A 18 C8 - N9 - C4 ANGL. DEV. = -2.9 DEGREES
REMARK 500 2 A A 19 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 2 A A 25 N7 - C8 - N9 ANGL. DEV. = 3.8 DEGREES
REMARK 500 2 G A 26 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 2 G A 26 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.6 DEGREES
REMARK 500 3 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 G A 3 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 3 C8 - N9 - C4 ANGL. DEV. = -2.5 DEGREES
REMARK 500 3 G A 6 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 3 G A 6 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 15 N7 - C8 - N9 ANGL. DEV. = 4.7 DEGREES
REMARK 500 3 G A 15 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 3 G A 18 N7 - C8 - N9 ANGL. DEV. = 5.0 DEGREES
REMARK 500 3 G A 18 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 3 A A 19 N7 - C8 - N9 ANGL. DEV. = 4.0 DEGREES
REMARK 500 3 A A 25 N7 - C8 - N9 ANGL. DEV. = 3.7 DEGREES
REMARK 500 3 G A 26 N7 - C8 - N9 ANGL. DEV. = 5.1 DEGREES
REMARK 500 3 G A 26 C8 - N9 - C4 ANGL. DEV. = -2.7 DEGREES
REMARK 500 4 G A 1 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 1 C8 - N9 - C4 ANGL. DEV. = -2.8 DEGREES
REMARK 500 4 G A 2 N7 - C8 - N9 ANGL. DEV. = 4.6 DEGREES
REMARK 500 4 G A 2 C8 - N9 - C4 ANGL. DEV. = -2.4 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 279 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
DBREF 1NA2 A 1 30 PDB 1NA2 1NA2 1 30
SEQRES 1 A 30 G G G C U G U U U U U C U
SEQRES 2 A 30 C G C U G A C U U U C A G
SEQRES 3 A 30 C C C C
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
MODEL 1
Complete list - b 23 2 Bytes